CID 64102

23905-32-0

Structural Information

Molecular Formula
C19H23N3O
SMILES
CCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3
InChI
InChI=1S/C19H23N3O/c1-2-9-18-20-17-11-4-3-10-16(17)19(23)22(18)15-8-7-14-21-12-5-6-13-21/h3-4,10-11H,2,5-6,9,12-15H2,1H3
InChIKey
IVQFLBVMKIYNAO-UHFFFAOYSA-N
Compound name
2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 173.5
[M+Na]+ 332.173318 182.8
[M-H]- 308.176824 173.2
[M+NH4]+ 327.217923 184.9
[M+K]+ 348.147258 173.8
[M+H-H2O]+ 292.181360 156.9
[M+HCOO]- 354.182301 184.5
[M+CH3COO]- 368.197951 181.1
[M+Na-2H]- 330.158766 173.5
[M]+ 309.18355142 167.4
[M]- 309.18464858 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.